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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Prostaglandin D2 receptor
Species	Homo sapiens (Human)
Gene	PTGDR
Synonym	PGD2 receptor DP1 DP1 receptor PTGDR1 prostanoid DP receptor-like Prostanoid DP receptor prostaglandin D2 receptor (DP) PGD receptor [ Show all ]
Disease	Pain Dyslipidaemias Rhinitis Thromboembolism Thrombosis Atopic dermatitis Asthma Allergy Allergic rhinitis [ Show all ]
Length	359
Amino acid sequence	MKSPFYRCQNTTSVEKGNSAVMGGVLFSTGLLGNLLALGLLARSGLGWCSRRPLRPLPSVFYMLVCGLTVTDLLGKCLLSPVVLAAYAQNRSLRVLAPALDNSLCQAFAFFMSFFGLSSTLQLLAMALECWLSLGHPFFYRRHITLRLGALVAPVVSAFSLAFCALPFMGFGKFVQYCPGTWCFIQMVHEEGSLSVLGYSVLYSSLMALLVLATVLCNLGAMRNLYAMHRRLQRHPRSCTRDCAEPRADGREASPQPLEELDHLLLLALMTVLFTMCSLPVIYRAYYGAFKDVKEKNRTSEEAEDLRALRFLSVISIVDPWIFIIFRSPVFRIFFHKIFIRPLRYRSRCSNSTNMESSL
UniProt	Q13258
Protein Data Bank	N/A
GPCR-HGmod model	Q13258
3D structure model	This predicted structure model is from GPCR-EXP Q13258.
BioLiP	N/A
Therapeutic Target Database	T68782
ChEMBL	CHEMBL4427
IUPHAR	338
DrugBank	BE0000296

Ligand

Name	CHEMBL82468
Molecular formula	C22H31NO4
IUPAC name	(E)-7-[(1R,2R,3S,5S)-2-[[2-(furan-3-yl)acetyl]amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight	373.493
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.6
Synonyms	7-[2-(2-Furan-3-yl-acetylamino)-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl]-hept-5-enoic acid BDBM50128736
Inchi Key	BLQALASUVZIUBI-JBZQRQEZSA-N
Inchi ID	InChI=1S/C22H31NO4/c1-22(2)17-12-16(7-5-3-4-6-8-20(25)26)21(18(22)13-17)23-19(24)11-15-9-10-27-14-15/h3,5,9-10,14,16-18,21H,4,6-8,11-13H2,1-2H3,(H,23,24)(H,25,26)/b5-3+/t16-,17-,18-,21+/m0/s1
PubChem CID	44460923
ChEMBL	CHEMBL82468
IUPHAR	N/A
BindingDB	50128736
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	17.0 nM	PMID12773048	BindingDB,ChEMBL
IC50	560.0 nM	PMID12773048	BindingDB
IC50	560.0 nM	PMID12773048	ChEMBL

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